5-(2-aminophenyl)sulfanyl-3-azanylidene-6-methylsulfanyl-4,7-dipentoxy-isoindol-1-amine

Systemtic Name: 5-(2-aminophenyl)sulfanyl-3-azanylidene-6-methylsulfanyl-4,7-dipentoxy-isoindol-1-amine Openeye Name: 5-(2-aminophenyl)sulfanyl-3-imino-6-methylsulfanyl-4,7-dipentoxy-isoindol-1-amine CAS Name: 5-[(2-aminophenyl)thio]-3-imino-6-(methylthio)-4,7-dipentoxy-1-isoindolamine IUPAC Name: 5-(2-aminophenyl)sulfanyl-3-imino-6-methylsulfanyl-4,7-dipentoxyisoindol-1-amine Traditional Name: [2-[[1-amino-4,7-diamoxy-3-imino-6-(methylthio)isoindol-5-yl]thio]phenyl]amine Formula: C25H34N4O2S2 MolecularWeight: 486.69306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCC)SC3=CC=CC=C3N)SC

Isomeric SMILES

CCCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCC)SC3=CC=CC=C3N)SC

InChI

InChI=1S/C25H34N4O2S2/c1-4-6-10-14-30-20-18-19(25(28)29-24(18)27)21(31-15-11-7-5-2)23(22(20)32-3)33-17-13-9-8-12-16(17)26/h8-9,12-13H,4-7,10-11,14-15,26H2,1-3H3,(H3,27,28,29)